Magnesium in PDB 6c4c: Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate
Enzymatic activity of Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate
All present enzymatic activity of Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate:
4.1.3.1;
4.1.3.30;
Protein crystallography data
The structure of Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate, PDB code: 6c4c
was solved by
D.F.Kreitler,
S.Ray,
A.S.Murkin,
A.M.Gulick,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
47.39 /
2.20
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
143.760,
87.130,
152.990,
90.00,
116.55,
90.00
|
|
R / Rfree (%)
|
19.2 /
24.8
|
Magnesium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
16;
Binding sites:
The binding sites of Magnesium atom in the Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate
(pdb code 6c4c). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 16 binding sites of Magnesium where determined in the
Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate, PDB code: 6c4c:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Magnesium binding site 1 out
of 16 in 6c4c
Go back to
Magnesium Binding Sites List in 6c4c
Magnesium binding site 1 out
of 16 in the Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg502
b:31.2
occ:1.00
|
OD2
|
A:ASP153
|
2.0
|
28.4
|
1.0
|
|
O2
|
A:GLV501
|
2.1
|
30.5
|
1.0
|
|
O
|
A:HOH603
|
2.1
|
25.9
|
1.0
|
|
O
|
A:HOH610
|
2.1
|
25.1
|
1.0
|
|
O
|
A:HOH653
|
2.2
|
23.7
|
1.0
|
|
O1
|
A:GLV501
|
2.5
|
28.9
|
1.0
|
|
C2
|
A:GLV501
|
2.9
|
29.4
|
1.0
|
|
C1
|
A:GLV501
|
3.0
|
29.1
|
1.0
|
|
CG
|
A:ASP153
|
3.2
|
29.5
|
1.0
|
|
HZ1
|
A:LYS189
|
3.2
|
56.9
|
1.0
|
|
H
|
A:TRP93
|
3.4
|
34.0
|
1.0
|
|
OZH
|
A:EJA191
|
3.4
|
62.8
|
1.0
|
|
HG2
|
A:GLU155
|
3.4
|
43.9
|
1.0
|
|
H
|
A:GLY92
|
3.6
|
33.1
|
1.0
|
|
OD2
|
A:ASP108
|
3.7
|
31.6
|
1.0
|
|
OD1
|
A:ASP153
|
3.7
|
30.2
|
1.0
|
|
HA3
|
A:GLY92
|
3.7
|
33.7
|
1.0
|
|
HE1
|
A:HIS180
|
3.8
|
33.1
|
1.0
|
|
H1
|
A:GLV501
|
3.8
|
34.9
|
1.0
|
|
N
|
A:TRP93
|
3.9
|
28.3
|
1.0
|
|
HE3
|
A:LYS189
|
4.0
|
57.7
|
1.0
|
|
HH12
|
A:ARG228
|
4.0
|
31.7
|
1.0
|
|
HB2
|
A:TRP93
|
4.0
|
35.3
|
1.0
|
|
NZ
|
A:LYS189
|
4.0
|
47.4
|
1.0
|
|
O3
|
A:GLV501
|
4.1
|
28.6
|
1.0
|
|
OD1
|
A:ASP108
|
4.1
|
30.8
|
1.0
|
|
OZ
|
A:EJA191
|
4.2
|
52.3
|
1.0
|
|
NE
|
A:EJA191
|
4.2
|
52.1
|
1.0
|
|
N
|
A:GLY92
|
4.2
|
27.6
|
1.0
|
|
CA
|
A:GLY92
|
4.2
|
28.1
|
1.0
|
|
HE2
|
A:LYS189
|
4.3
|
57.7
|
1.0
|
|
CG
|
A:ASP108
|
4.3
|
31.3
|
1.0
|
|
CE
|
A:LYS189
|
4.3
|
48.1
|
1.0
|
|
HZ2
|
A:LYS189
|
4.3
|
56.9
|
1.0
|
|
CG
|
A:GLU155
|
4.4
|
36.6
|
1.0
|
|
OE2
|
A:GLU155
|
4.4
|
35.8
|
1.0
|
|
C
|
A:GLY92
|
4.4
|
28.9
|
1.0
|
|
CB
|
A:ASP153
|
4.4
|
28.2
|
1.0
|
|
NH1
|
A:ARG228
|
4.4
|
26.4
|
1.0
|
|
HB2
|
A:ASP153
|
4.4
|
33.9
|
1.0
|
|
HH11
|
A:ARG228
|
4.6
|
31.7
|
1.0
|
|
OE1
|
A:GLU182
|
4.6
|
36.7
|
1.0
|
|
HG
|
A:SER91
|
4.6
|
31.0
|
1.0
|
|
HA
|
A:GLU155
|
4.6
|
43.1
|
1.0
|
|
HZ3
|
A:LYS189
|
4.6
|
56.9
|
1.0
|
|
CE1
|
A:HIS180
|
4.7
|
27.6
|
1.0
|
|
HB3
|
A:ASP153
|
4.7
|
33.9
|
1.0
|
|
OH
|
A:TYR89
|
4.7
|
35.4
|
1.0
|
|
HG3
|
A:GLU155
|
4.7
|
43.9
|
1.0
|
|
HH
|
A:TYR89
|
4.7
|
42.4
|
1.0
|
|
HA
|
A:EJA191
|
4.7
|
64.4
|
1.0
|
|
CB
|
A:TRP93
|
4.8
|
29.4
|
1.0
|
|
CA
|
A:TRP93
|
4.8
|
29.2
|
1.0
|
|
CD
|
A:GLU155
|
4.8
|
36.1
|
1.0
|
|
HA
|
A:TRP93
|
4.9
|
35.1
|
1.0
|
|
Magnesium binding site 2 out
of 16 in 6c4c
Go back to
Magnesium Binding Sites List in 6c4c
Magnesium binding site 2 out
of 16 in the Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg503
b:31.2
occ:1.00
|
OE1
|
A:GLN308
|
2.3
|
32.5
|
1.0
|
|
O
|
A:ALA276
|
2.4
|
33.2
|
1.0
|
|
O
|
A:HOH797
|
2.5
|
33.6
|
1.0
|
|
O
|
A:ALA279
|
2.5
|
31.5
|
1.0
|
|
O
|
A:HOH666
|
2.5
|
32.1
|
1.0
|
|
O
|
A:HOH816
|
2.5
|
29.9
|
1.0
|
|
HE22
|
A:GLN308
|
3.1
|
38.7
|
1.0
|
|
CD
|
A:GLN308
|
3.2
|
32.9
|
1.0
|
|
C
|
A:ALA276
|
3.4
|
34.6
|
1.0
|
|
H
|
A:ALA279
|
3.4
|
38.1
|
1.0
|
|
NE2
|
A:GLN308
|
3.5
|
32.2
|
1.0
|
|
C
|
A:ALA279
|
3.6
|
31.7
|
1.0
|
|
HA
|
A:ALA276
|
3.6
|
41.0
|
1.0
|
|
HB1
|
A:ALA276
|
3.8
|
41.6
|
1.0
|
|
CA
|
A:ALA276
|
4.0
|
34.1
|
1.0
|
|
HA
|
A:ASP280
|
4.0
|
39.2
|
1.0
|
|
N
|
A:ALA279
|
4.2
|
31.8
|
1.0
|
|
O
|
A:HOH646
|
4.2
|
36.2
|
1.0
|
|
HB3
|
A:ASP25
|
4.2
|
60.2
|
1.0
|
|
HA
|
A:PRO277
|
4.2
|
45.2
|
1.0
|
|
O
|
A:ASP25
|
4.3
|
49.2
|
1.0
|
|
HB3
|
A:ALA279
|
4.3
|
37.2
|
1.0
|
|
O
|
A:HOH703
|
4.3
|
34.8
|
1.0
|
|
HE21
|
A:GLN308
|
4.3
|
38.7
|
1.0
|
|
CA
|
A:ALA279
|
4.4
|
31.2
|
1.0
|
|
CB
|
A:ALA276
|
4.4
|
34.6
|
1.0
|
|
N
|
A:PRO277
|
4.4
|
36.5
|
1.0
|
|
HA
|
A:GLN308
|
4.5
|
42.3
|
1.0
|
|
HB2
|
A:GLN308
|
4.5
|
41.5
|
1.0
|
|
N
|
A:ASP280
|
4.5
|
31.9
|
1.0
|
|
O
|
A:HOH699
|
4.6
|
27.6
|
1.0
|
|
CG
|
A:GLN308
|
4.6
|
33.5
|
1.0
|
|
CA
|
A:PRO277
|
4.6
|
37.6
|
1.0
|
|
CA
|
A:ASP280
|
4.7
|
32.7
|
1.0
|
|
HB2
|
A:ASP25
|
4.7
|
60.2
|
1.0
|
|
C
|
A:PRO277
|
4.7
|
36.9
|
1.0
|
|
HD11
|
A:ILE282
|
4.8
|
37.7
|
1.0
|
|
H
|
A:PHE278
|
4.9
|
43.8
|
1.0
|
|
CB
|
A:ASP25
|
4.9
|
50.2
|
1.0
|
|
N
|
A:PHE278
|
4.9
|
36.5
|
1.0
|
|
CB
|
A:ALA279
|
4.9
|
31.0
|
1.0
|
|
HG2
|
A:GLN308
|
4.9
|
40.2
|
1.0
|
|
CB
|
A:GLN308
|
5.0
|
34.6
|
1.0
|
|
C
|
A:ASP280
|
5.0
|
32.6
|
1.0
|
|
Magnesium binding site 3 out
of 16 in 6c4c
Go back to
Magnesium Binding Sites List in 6c4c
Magnesium binding site 3 out
of 16 in the Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg502
b:31.0
occ:1.00
|
O3
|
B:PYR501
|
2.0
|
29.2
|
1.0
|
|
O2
|
B:PYR501
|
2.0
|
28.2
|
1.0
|
|
O
|
B:HOH604
|
2.1
|
30.9
|
1.0
|
|
O
|
B:HOH613
|
2.1
|
26.9
|
1.0
|
|
O
|
B:HOH661
|
2.2
|
22.5
|
1.0
|
|
OD2
|
B:ASP153
|
2.2
|
36.2
|
1.0
|
|
C2
|
B:PYR501
|
2.7
|
28.2
|
1.0
|
|
C1
|
B:PYR501
|
2.7
|
27.8
|
1.0
|
|
HZ1
|
B:LYS189
|
3.0
|
45.0
|
1.0
|
|
OZH
|
B:EJA191
|
3.1
|
42.8
|
1.0
|
|
H
|
B:TRP93
|
3.2
|
44.0
|
1.0
|
|
HG2
|
B:GLU155
|
3.3
|
43.8
|
1.0
|
|
CG
|
B:ASP153
|
3.3
|
36.4
|
1.0
|
|
OD2
|
B:ASP108
|
3.4
|
33.4
|
1.0
|
|
HA3
|
B:GLY92
|
3.5
|
41.9
|
1.0
|
|
H
|
B:GLY92
|
3.6
|
41.3
|
1.0
|
|
HH12
|
B:ARG228
|
3.7
|
47.9
|
1.0
|
|
OD1
|
B:ASP153
|
3.8
|
36.8
|
1.0
|
|
HE3
|
B:LYS189
|
3.8
|
45.0
|
1.0
|
|
NZ
|
B:LYS189
|
3.8
|
37.5
|
1.0
|
|
N
|
B:TRP93
|
3.9
|
36.7
|
1.0
|
|
OZ
|
B:EJA191
|
3.9
|
35.6
|
1.0
|
|
HE1
|
B:HIS180
|
3.9
|
50.2
|
1.0
|
|
OD1
|
B:ASP108
|
4.0
|
32.9
|
1.0
|
|
O1
|
B:PYR501
|
4.0
|
26.8
|
1.0
|
|
HB2
|
B:TRP93
|
4.0
|
44.6
|
1.0
|
|
NE
|
B:EJA191
|
4.1
|
34.7
|
1.0
|
|
CG
|
B:ASP108
|
4.1
|
33.4
|
1.0
|
|
HZ2
|
B:LYS189
|
4.1
|
45.0
|
1.0
|
|
CA
|
B:GLY92
|
4.1
|
35.0
|
1.0
|
|
C3
|
B:PYR501
|
4.2
|
27.6
|
1.0
|
|
HE2
|
B:LYS189
|
4.2
|
45.0
|
1.0
|
|
CE
|
B:LYS189
|
4.2
|
37.5
|
1.0
|
|
N
|
B:GLY92
|
4.2
|
34.4
|
1.0
|
|
CG
|
B:GLU155
|
4.2
|
36.5
|
1.0
|
|
NH1
|
B:ARG228
|
4.3
|
39.9
|
1.0
|
|
OE2
|
B:GLU155
|
4.3
|
35.2
|
1.0
|
|
C
|
B:GLY92
|
4.4
|
35.5
|
1.0
|
|
HH11
|
B:ARG228
|
4.4
|
47.9
|
1.0
|
|
HZ3
|
B:LYS189
|
4.4
|
45.0
|
1.0
|
|
H31
|
B:PYR501
|
4.5
|
33.1
|
1.0
|
|
HA
|
B:GLU155
|
4.5
|
44.1
|
1.0
|
|
HG3
|
B:GLU155
|
4.5
|
43.8
|
1.0
|
|
H33
|
B:PYR501
|
4.6
|
33.1
|
1.0
|
|
CB
|
B:ASP153
|
4.6
|
35.0
|
1.0
|
|
HA
|
B:EJA191
|
4.6
|
42.0
|
1.0
|
|
HG
|
B:SER91
|
4.6
|
40.4
|
1.0
|
|
HB2
|
B:ASP153
|
4.7
|
42.0
|
1.0
|
|
CD
|
B:GLU155
|
4.7
|
36.2
|
1.0
|
|
CE1
|
B:HIS180
|
4.7
|
41.8
|
1.0
|
|
OE1
|
B:GLU182
|
4.7
|
36.4
|
1.0
|
|
CA
|
B:TRP93
|
4.8
|
36.7
|
1.0
|
|
H32
|
B:PYR501
|
4.8
|
33.1
|
1.0
|
|
CB
|
B:TRP93
|
4.8
|
37.1
|
1.0
|
|
HB3
|
B:ASP153
|
4.8
|
42.0
|
1.0
|
|
HA
|
B:TRP93
|
4.8
|
44.1
|
1.0
|
|
OH
|
B:TYR89
|
4.9
|
35.7
|
1.0
|
|
Magnesium binding site 4 out
of 16 in 6c4c
Go back to
Magnesium Binding Sites List in 6c4c
Magnesium binding site 4 out
of 16 in the Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg503
b:46.2
occ:1.00
|
O
|
B:HOH773
|
2.3
|
45.9
|
1.0
|
|
O
|
B:ALA276
|
2.3
|
51.4
|
1.0
|
|
O
|
B:HOH771
|
2.3
|
28.3
|
1.0
|
|
OE1
|
B:GLN308
|
2.4
|
43.1
|
1.0
|
|
O
|
B:ALA279
|
2.6
|
41.1
|
1.0
|
|
O
|
B:HOH659
|
2.8
|
45.8
|
1.0
|
|
C
|
B:ALA276
|
3.4
|
54.4
|
1.0
|
|
CD
|
B:GLN308
|
3.4
|
43.1
|
1.0
|
|
H
|
B:ALA279
|
3.4
|
51.8
|
1.0
|
|
HE22
|
B:GLN308
|
3.4
|
50.2
|
1.0
|
|
O
|
B:HOH786
|
3.5
|
32.4
|
1.0
|
|
C
|
B:ALA279
|
3.7
|
41.7
|
1.0
|
|
HA
|
B:PRO277
|
3.8
|
75.9
|
1.0
|
|
NE2
|
B:GLN308
|
3.8
|
41.8
|
1.0
|
|
HA
|
B:ALA276
|
3.9
|
61.1
|
1.0
|
|
HB1
|
B:ALA276
|
3.9
|
61.4
|
1.0
|
|
O
|
B:ASP25
|
4.0
|
62.0
|
1.0
|
|
O
|
B:HOH749
|
4.1
|
32.3
|
1.0
|
|
HB2
|
B:ASP25
|
4.1
|
76.9
|
1.0
|
|
CA
|
B:ALA276
|
4.1
|
50.9
|
1.0
|
|
HA
|
B:ASP280
|
4.2
|
51.5
|
1.0
|
|
N
|
B:ALA279
|
4.2
|
43.1
|
1.0
|
|
N
|
B:PRO277
|
4.3
|
60.6
|
1.0
|
|
HB3
|
B:ASP25
|
4.3
|
76.9
|
1.0
|
|
CA
|
B:PRO277
|
4.3
|
63.2
|
1.0
|
|
HB3
|
B:ALA279
|
4.4
|
49.0
|
1.0
|
|
CA
|
B:ALA279
|
4.5
|
41.2
|
1.0
|
|
C
|
B:PRO277
|
4.5
|
59.3
|
1.0
|
|
CB
|
B:ALA276
|
4.6
|
51.2
|
1.0
|
|
HB2
|
B:GLN308
|
4.6
|
53.2
|
1.0
|
|
HA
|
B:GLN308
|
4.6
|
54.6
|
1.0
|
|
O
|
B:HOH641
|
4.6
|
35.2
|
1.0
|
|
HE21
|
B:GLN308
|
4.7
|
50.2
|
1.0
|
|
CB
|
B:ASP25
|
4.7
|
64.0
|
1.0
|
|
N
|
B:ASP280
|
4.7
|
42.1
|
1.0
|
|
CG
|
B:GLN308
|
4.7
|
43.5
|
1.0
|
|
CA
|
B:ASP280
|
4.8
|
42.9
|
1.0
|
|
N
|
B:PHE278
|
4.9
|
51.3
|
1.0
|
|
O
|
B:PRO277
|
4.9
|
62.9
|
1.0
|
|
H
|
B:PHE278
|
4.9
|
61.6
|
1.0
|
|
C
|
B:ASP25
|
5.0
|
60.5
|
1.0
|
|
Magnesium binding site 5 out
of 16 in 6c4c
Go back to
Magnesium Binding Sites List in 6c4c
Magnesium binding site 5 out
of 16 in the Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg502
b:27.4
occ:1.00
|
OD2
|
C:ASP153
|
1.9
|
40.0
|
1.0
|
|
O1
|
C:PYR501
|
2.0
|
34.1
|
1.0
|
|
O
|
C:HOH619
|
2.0
|
32.7
|
1.0
|
|
O3
|
C:PYR501
|
2.0
|
39.8
|
1.0
|
|
O
|
C:HOH604
|
2.2
|
24.3
|
1.0
|
|
O
|
C:HOH636
|
2.2
|
23.4
|
1.0
|
|
C1
|
C:PYR501
|
2.6
|
37.1
|
1.0
|
|
C2
|
C:PYR501
|
2.7
|
39.6
|
1.0
|
|
CG
|
C:ASP153
|
3.0
|
32.1
|
1.0
|
|
HZ1
|
C:LYS189
|
3.1
|
50.8
|
1.0
|
|
HG2
|
C:GLU155
|
3.2
|
47.0
|
1.0
|
|
H
|
C:TRP93
|
3.3
|
42.5
|
1.0
|
|
H
|
C:GLY92
|
3.4
|
42.8
|
1.0
|
|
HA3
|
C:GLY92
|
3.4
|
43.3
|
1.0
|
|
OD1
|
C:ASP153
|
3.5
|
30.4
|
1.0
|
|
HE1
|
C:HIS180
|
3.6
|
40.6
|
1.0
|
|
OZH
|
C:EJA191
|
3.8
|
48.8
|
1.0
|
|
HZ3
|
C:LYS189
|
3.8
|
50.8
|
1.0
|
|
NZ
|
C:LYS189
|
3.8
|
42.3
|
1.0
|
|
N
|
C:TRP93
|
3.9
|
35.5
|
1.0
|
|
O2
|
C:PYR501
|
3.9
|
36.4
|
1.0
|
|
OD2
|
C:ASP108
|
3.9
|
35.4
|
1.0
|
|
HH12
|
C:ARG228
|
3.9
|
42.5
|
1.0
|
|
N
|
C:GLY92
|
4.0
|
35.7
|
1.0
|
|
CA
|
C:GLY92
|
4.0
|
36.1
|
1.0
|
|
CG
|
C:GLU155
|
4.1
|
39.1
|
1.0
|
|
C3
|
C:PYR501
|
4.1
|
40.9
|
1.0
|
|
HB2
|
C:ASP153
|
4.1
|
35.1
|
1.0
|
|
CB
|
C:ASP153
|
4.1
|
29.3
|
1.0
|
|
HB2
|
C:TRP93
|
4.2
|
42.8
|
1.0
|
|
OD1
|
C:ASP108
|
4.2
|
33.0
|
1.0
|
|
HG3
|
C:GLU155
|
4.3
|
47.0
|
1.0
|
|
OE2
|
C:GLU155
|
4.3
|
39.5
|
1.0
|
|
C
|
C:GLY92
|
4.3
|
36.5
|
1.0
|
|
HZ2
|
C:LYS189
|
4.4
|
50.8
|
1.0
|
|
HA
|
C:GLU155
|
4.4
|
45.4
|
1.0
|
|
HB3
|
C:ASP153
|
4.4
|
35.1
|
1.0
|
|
NH1
|
C:ARG228
|
4.4
|
35.4
|
1.0
|
|
CE1
|
C:HIS180
|
4.4
|
33.9
|
1.0
|
|
HH11
|
C:ARG228
|
4.5
|
42.5
|
1.0
|
|
HE2
|
C:LYS189
|
4.5
|
50.9
|
1.0
|
|
H31
|
C:PYR501
|
4.5
|
49.0
|
1.0
|
|
NE
|
C:EJA191
|
4.5
|
40.8
|
1.0
|
|
CG
|
C:ASP108
|
4.5
|
34.2
|
1.0
|
|
OZ
|
C:EJA191
|
4.5
|
40.7
|
1.0
|
|
H32
|
C:PYR501
|
4.5
|
49.0
|
1.0
|
|
HG
|
C:SER91
|
4.6
|
43.8
|
1.0
|
|
OE1
|
C:GLU182
|
4.7
|
35.2
|
1.0
|
|
CD
|
C:GLU155
|
4.7
|
39.5
|
1.0
|
|
CE
|
C:LYS189
|
4.7
|
42.4
|
1.0
|
|
H33
|
C:PYR501
|
4.8
|
49.0
|
1.0
|
|
HH
|
C:TYR89
|
4.8
|
41.3
|
1.0
|
|
OH
|
C:TYR89
|
4.8
|
34.4
|
1.0
|
|
H
|
C:GLU155
|
4.9
|
43.2
|
1.0
|
|
CA
|
C:TRP93
|
4.9
|
35.1
|
1.0
|
|
HA2
|
C:GLY92
|
4.9
|
43.3
|
1.0
|
|
NE2
|
C:HIS180
|
5.0
|
34.5
|
1.0
|
|
CB
|
C:TRP93
|
5.0
|
35.7
|
1.0
|
|
HA
|
C:TRP93
|
5.0
|
42.2
|
1.0
|
|
HE3
|
C:LYS189
|
5.0
|
50.9
|
1.0
|
|
HA
|
C:SER91
|
5.0
|
44.1
|
1.0
|
|
Magnesium binding site 6 out
of 16 in 6c4c
Go back to
Magnesium Binding Sites List in 6c4c
Magnesium binding site 6 out
of 16 in the Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg503
b:37.1
occ:1.00
|
O
|
C:ALA276
|
2.2
|
37.5
|
1.0
|
|
OE1
|
C:GLN308
|
2.2
|
42.0
|
1.0
|
|
O
|
C:HOH766
|
2.4
|
33.2
|
1.0
|
|
O
|
C:ALA279
|
2.5
|
37.8
|
1.0
|
|
O
|
C:HOH770
|
2.6
|
33.5
|
1.0
|
|
O
|
C:HOH637
|
2.6
|
40.4
|
1.0
|
|
C
|
C:ALA276
|
3.2
|
37.7
|
1.0
|
|
CD
|
C:GLN308
|
3.3
|
41.6
|
1.0
|
|
HE22
|
C:GLN308
|
3.3
|
49.5
|
1.0
|
|
H
|
C:ALA279
|
3.4
|
44.5
|
1.0
|
|
HA
|
C:ALA276
|
3.6
|
45.7
|
1.0
|
|
C
|
C:ALA279
|
3.7
|
37.2
|
1.0
|
|
NE2
|
C:GLN308
|
3.7
|
41.2
|
1.0
|
|
HB1
|
C:ALA276
|
3.8
|
47.2
|
1.0
|
|
HA
|
C:PRO277
|
3.9
|
45.4
|
1.0
|
|
CA
|
C:ALA276
|
3.9
|
38.0
|
1.0
|
|
O
|
C:ASP25
|
4.1
|
57.4
|
1.0
|
|
N
|
C:ALA279
|
4.2
|
37.1
|
1.0
|
|
HA
|
C:ASP280
|
4.2
|
45.4
|
1.0
|
|
N
|
C:PRO277
|
4.2
|
37.4
|
1.0
|
|
O
|
C:HOH705
|
4.3
|
31.7
|
1.0
|
|
HB3
|
C:ALA279
|
4.3
|
44.8
|
1.0
|
|
CA
|
C:PRO277
|
4.4
|
37.8
|
1.0
|
|
HB3
|
C:ASP25
|
4.4
|
73.1
|
1.0
|
|
CB
|
C:ALA276
|
4.4
|
39.3
|
1.0
|
|
CA
|
C:ALA279
|
4.5
|
37.0
|
1.0
|
|
O
|
C:HOH652
|
4.5
|
45.4
|
1.0
|
|
C
|
C:PRO277
|
4.5
|
37.2
|
1.0
|
|
HE21
|
C:GLN308
|
4.6
|
49.5
|
1.0
|
|
HB2
|
C:ASP25
|
4.6
|
73.1
|
1.0
|
|
CG
|
C:GLN308
|
4.6
|
41.0
|
1.0
|
|
HA
|
C:GLN308
|
4.6
|
51.7
|
1.0
|
|
H
|
C:PHE278
|
4.7
|
44.6
|
1.0
|
|
O
|
C:HOH723
|
4.7
|
45.1
|
1.0
|
|
N
|
C:ASP280
|
4.7
|
36.8
|
1.0
|
|
HD11
|
C:ILE282
|
4.7
|
47.6
|
1.0
|
|
N
|
C:PHE278
|
4.7
|
37.2
|
1.0
|
|
HB2
|
C:GLN308
|
4.8
|
50.1
|
1.0
|
|
HG2
|
C:GLN308
|
4.8
|
49.2
|
1.0
|
|
CA
|
C:ASP280
|
4.8
|
37.8
|
1.0
|
|
O
|
C:HOH653
|
4.9
|
36.2
|
1.0
|
|
CB
|
C:ALA279
|
4.9
|
37.3
|
1.0
|
|
CB
|
C:ASP25
|
5.0
|
60.9
|
1.0
|
|
Magnesium binding site 7 out
of 16 in 6c4c
Go back to
Magnesium Binding Sites List in 6c4c
Magnesium binding site 7 out
of 16 in the Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg502
b:33.9
occ:1.00
|
O2
|
D:GLV501
|
2.0
|
35.2
|
1.0
|
|
O
|
D:HOH601
|
2.0
|
33.8
|
1.0
|
|
O
|
D:HOH641
|
2.0
|
30.3
|
1.0
|
|
OD2
|
D:ASP153
|
2.1
|
31.9
|
1.0
|
|
O
|
D:HOH628
|
2.3
|
32.1
|
1.0
|
|
O1
|
D:GLV501
|
2.3
|
37.1
|
1.0
|
|
C2
|
D:GLV501
|
2.7
|
36.2
|
1.0
|
|
C1
|
D:GLV501
|
2.8
|
36.8
|
1.0
|
|
H
|
D:TRP93
|
3.2
|
46.5
|
1.0
|
|
CG
|
D:ASP153
|
3.2
|
31.3
|
1.0
|
|
HZ1
|
D:LYS189
|
3.4
|
60.9
|
1.0
|
|
H
|
D:GLY92
|
3.4
|
44.1
|
1.0
|
|
HA3
|
D:GLY92
|
3.4
|
44.5
|
1.0
|
|
OZH
|
D:EJA191
|
3.5
|
72.7
|
1.0
|
|
OD2
|
D:ASP108
|
3.5
|
42.4
|
1.0
|
|
HG2
|
D:GLU155
|
3.5
|
48.8
|
1.0
|
|
H1
|
D:GLV501
|
3.6
|
44.2
|
1.0
|
|
N
|
D:TRP93
|
3.8
|
38.7
|
1.0
|
|
OD1
|
D:ASP153
|
3.8
|
30.4
|
1.0
|
|
O3
|
D:GLV501
|
3.9
|
35.7
|
1.0
|
|
HE1
|
D:HIS180
|
3.9
|
49.2
|
1.0
|
|
OD1
|
D:ASP108
|
3.9
|
42.1
|
1.0
|
|
HH12
|
D:ARG228
|
4.0
|
58.0
|
1.0
|
|
CA
|
D:GLY92
|
4.0
|
37.1
|
1.0
|
|
N
|
D:GLY92
|
4.0
|
36.8
|
1.0
|
|
HB2
|
D:TRP93
|
4.0
|
46.6
|
1.0
|
|
CG
|
D:ASP108
|
4.1
|
42.6
|
1.0
|
|
HE3
|
D:LYS189
|
4.2
|
61.3
|
1.0
|
|
C
|
D:GLY92
|
4.2
|
38.1
|
1.0
|
|
OZ
|
D:EJA191
|
4.2
|
60.6
|
1.0
|
|
NZ
|
D:LYS189
|
4.2
|
50.8
|
1.0
|
|
NE
|
D:EJA191
|
4.3
|
60.4
|
1.0
|
|
CB
|
D:ASP153
|
4.4
|
31.7
|
1.0
|
|
HB2
|
D:ASP153
|
4.5
|
38.0
|
1.0
|
|
CG
|
D:GLU155
|
4.5
|
40.6
|
1.0
|
|
HG
|
D:SER91
|
4.5
|
42.0
|
1.0
|
|
HE2
|
D:LYS189
|
4.5
|
61.3
|
1.0
|
|
NH1
|
D:ARG228
|
4.5
|
48.3
|
1.0
|
|
HZ2
|
D:LYS189
|
4.6
|
60.9
|
1.0
|
|
OE2
|
D:GLU155
|
4.6
|
39.7
|
1.0
|
|
CE
|
D:LYS189
|
4.6
|
51.1
|
1.0
|
|
HB3
|
D:ASP153
|
4.7
|
38.0
|
1.0
|
|
HA
|
D:GLU155
|
4.7
|
48.1
|
1.0
|
|
HH11
|
D:ARG228
|
4.7
|
58.0
|
1.0
|
|
CA
|
D:TRP93
|
4.7
|
38.8
|
1.0
|
|
HA
|
D:TRP93
|
4.8
|
46.5
|
1.0
|
|
CE1
|
D:HIS180
|
4.8
|
41.0
|
1.0
|
|
CB
|
D:TRP93
|
4.8
|
38.9
|
1.0
|
|
HG3
|
D:GLU155
|
4.8
|
48.8
|
1.0
|
|
HZ3
|
D:LYS189
|
4.8
|
60.9
|
1.0
|
|
HA
|
D:EJA191
|
4.8
|
79.0
|
1.0
|
|
HA2
|
D:GLY92
|
4.9
|
44.5
|
1.0
|
|
CD
|
D:GLU155
|
4.9
|
40.7
|
1.0
|
|
OH
|
D:TYR89
|
4.9
|
44.9
|
1.0
|
|
OE1
|
D:GLU182
|
4.9
|
45.5
|
1.0
|
|
HH
|
D:TYR89
|
5.0
|
53.8
|
1.0
|
|
Magnesium binding site 8 out
of 16 in 6c4c
Go back to
Magnesium Binding Sites List in 6c4c
Magnesium binding site 8 out
of 16 in the Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg503
b:43.6
occ:1.00
|
O
|
D:HOH617
|
2.3
|
41.4
|
1.0
|
|
OE1
|
D:GLN308
|
2.3
|
48.8
|
1.0
|
|
O
|
D:ALA279
|
2.4
|
43.4
|
1.0
|
|
O
|
D:ALA276
|
2.4
|
38.9
|
1.0
|
|
O
|
D:HOH765
|
2.5
|
30.1
|
1.0
|
|
O
|
D:HOH769
|
2.7
|
42.2
|
1.0
|
|
H
|
D:ALA279
|
3.3
|
50.7
|
1.0
|
|
CD
|
D:GLN308
|
3.4
|
48.8
|
1.0
|
|
HE22
|
D:GLN308
|
3.4
|
57.0
|
1.0
|
|
C
|
D:ALA276
|
3.5
|
41.9
|
1.0
|
|
C
|
D:ALA279
|
3.5
|
42.9
|
1.0
|
|
O
|
D:ASP25
|
3.8
|
57.4
|
1.0
|
|
NE2
|
D:GLN308
|
3.8
|
47.5
|
1.0
|
|
HA
|
D:ALA276
|
4.0
|
48.4
|
1.0
|
|
HA
|
D:PRO277
|
4.0
|
57.0
|
1.0
|
|
N
|
D:ALA279
|
4.0
|
42.3
|
1.0
|
|
HA
|
D:ASP280
|
4.0
|
48.8
|
1.0
|
|
HB1
|
D:ALA276
|
4.2
|
49.2
|
1.0
|
|
HB2
|
D:ASP25
|
4.2
|
71.5
|
1.0
|
|
HB3
|
D:ASP25
|
4.2
|
71.5
|
1.0
|
|
O
|
D:HOH709
|
4.3
|
46.7
|
1.0
|
|
CA
|
D:ALA276
|
4.3
|
40.4
|
1.0
|
|
O
|
D:HOH742
|
4.3
|
35.2
|
1.0
|
|
CA
|
D:ALA279
|
4.3
|
43.0
|
1.0
|
|
HB3
|
D:ALA279
|
4.3
|
53.0
|
1.0
|
|
N
|
D:PRO277
|
4.4
|
46.2
|
1.0
|
|
CA
|
D:PRO277
|
4.4
|
47.5
|
1.0
|
|
C
|
D:PRO277
|
4.4
|
45.6
|
1.0
|
|
N
|
D:ASP280
|
4.5
|
41.2
|
1.0
|
|
HE21
|
D:GLN308
|
4.6
|
57.0
|
1.0
|
|
N
|
D:PHE278
|
4.7
|
41.8
|
1.0
|
|
CA
|
D:ASP280
|
4.7
|
40.7
|
1.0
|
|
CB
|
D:ASP25
|
4.7
|
59.6
|
1.0
|
|
HA
|
D:GLN308
|
4.7
|
60.6
|
1.0
|
|
HB2
|
D:GLN308
|
4.7
|
60.6
|
1.0
|
|
H
|
D:PHE278
|
4.7
|
50.2
|
1.0
|
|
CG
|
D:GLN308
|
4.7
|
49.4
|
1.0
|
|
O
|
D:PRO277
|
4.7
|
46.9
|
1.0
|
|
CB
|
D:ALA276
|
4.8
|
41.0
|
1.0
|
|
C
|
D:ASP25
|
4.8
|
54.6
|
1.0
|
|
HD11
|
D:ILE282
|
4.9
|
46.6
|
1.0
|
|
CB
|
D:ALA279
|
4.9
|
44.2
|
1.0
|
|
HG2
|
D:GLN308
|
5.0
|
59.2
|
1.0
|
|
O
|
D:HOH729
|
5.0
|
40.3
|
1.0
|
|
Magnesium binding site 9 out
of 16 in 6c4c
Go back to
Magnesium Binding Sites List in 6c4c
Magnesium binding site 9 out
of 16 in the Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg502
b:26.9
occ:1.00
|
O
|
E:HOH604
|
1.9
|
27.4
|
1.0
|
|
O
|
E:HOH612
|
2.0
|
24.9
|
1.0
|
|
O3
|
E:PYR501
|
2.1
|
33.5
|
1.0
|
|
OD2
|
E:ASP153
|
2.1
|
29.4
|
1.0
|
|
O
|
E:HOH658
|
2.1
|
30.9
|
1.0
|
|
O2
|
E:PYR501
|
2.2
|
31.3
|
1.0
|
|
C2
|
E:PYR501
|
2.8
|
32.7
|
1.0
|
|
C1
|
E:PYR501
|
2.8
|
31.7
|
1.0
|
|
HZ1
|
E:LYS189
|
3.0
|
40.7
|
1.0
|
|
CG
|
E:ASP153
|
3.2
|
29.6
|
1.0
|
|
HG2
|
E:GLU155
|
3.2
|
41.9
|
1.0
|
|
OZH
|
E:EJA191
|
3.4
|
42.4
|
1.0
|
|
H
|
E:TRP93
|
3.5
|
36.0
|
1.0
|
|
OD2
|
E:ASP108
|
3.5
|
28.6
|
1.0
|
|
HA3
|
E:GLY92
|
3.5
|
33.0
|
1.0
|
|
H
|
E:GLY92
|
3.6
|
33.2
|
1.0
|
|
OD1
|
E:ASP153
|
3.7
|
29.7
|
1.0
|
|
HH12
|
E:ARG228
|
3.8
|
40.2
|
1.0
|
|
HE1
|
E:HIS180
|
3.8
|
34.2
|
1.0
|
|
NZ
|
E:LYS189
|
3.9
|
33.9
|
1.0
|
|
HE3
|
E:LYS189
|
3.9
|
40.8
|
1.0
|
|
OD1
|
E:ASP108
|
4.0
|
29.1
|
1.0
|
|
HE2
|
E:LYS189
|
4.0
|
40.8
|
1.0
|
|
N
|
E:TRP93
|
4.0
|
30.0
|
1.0
|
|
O1
|
E:PYR501
|
4.1
|
31.6
|
1.0
|
|
CA
|
E:GLY92
|
4.1
|
27.5
|
1.0
|
|
CG
|
E:ASP108
|
4.2
|
29.7
|
1.0
|
|
OZ
|
E:EJA191
|
4.2
|
35.3
|
1.0
|
|
CG
|
E:GLU155
|
4.2
|
34.9
|
1.0
|
|
CE
|
E:LYS189
|
4.2
|
34.0
|
1.0
|
|
N
|
E:GLY92
|
4.2
|
27.7
|
1.0
|
|
C3
|
E:PYR501
|
4.2
|
32.8
|
1.0
|
|
NE
|
E:EJA191
|
4.3
|
34.5
|
1.0
|
|
HB2
|
E:TRP93
|
4.3
|
37.2
|
1.0
|
|
HZ2
|
E:LYS189
|
4.3
|
40.7
|
1.0
|
|
HA
|
E:GLU155
|
4.3
|
41.1
|
1.0
|
|
NH1
|
E:ARG228
|
4.3
|
33.5
|
1.0
|
|
OE2
|
E:GLU155
|
4.4
|
34.0
|
1.0
|
|
HH11
|
E:ARG228
|
4.4
|
40.2
|
1.0
|
|
HZ3
|
E:LYS189
|
4.4
|
40.7
|
1.0
|
|
C
|
E:GLY92
|
4.4
|
28.2
|
1.0
|
|
CB
|
E:ASP153
|
4.5
|
29.8
|
1.0
|
|
HB2
|
E:ASP153
|
4.5
|
35.8
|
1.0
|
|
HG3
|
E:GLU155
|
4.6
|
41.9
|
1.0
|
|
OE1
|
E:GLU182
|
4.6
|
32.6
|
1.0
|
|
H31
|
E:PYR501
|
4.6
|
39.4
|
1.0
|
|
H33
|
E:PYR501
|
4.6
|
39.4
|
1.0
|
|
CD
|
E:GLU155
|
4.6
|
34.5
|
1.0
|
|
HB3
|
E:ASP153
|
4.7
|
35.8
|
1.0
|
|
CE1
|
E:HIS180
|
4.7
|
28.5
|
1.0
|
|
HA
|
E:EJA191
|
4.7
|
41.9
|
1.0
|
|
HG
|
E:SER91
|
4.8
|
38.5
|
1.0
|
|
H
|
E:GLU155
|
4.9
|
38.5
|
1.0
|
|
H32
|
E:PYR501
|
4.9
|
39.4
|
1.0
|
|
CA
|
E:TRP93
|
5.0
|
31.2
|
1.0
|
|
Magnesium binding site 10 out
of 16 in 6c4c
Go back to
Magnesium Binding Sites List in 6c4c
Magnesium binding site 10 out
of 16 in the Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Crystal Structure of 3-Nitropropionate Modified Isocitrate Lyase From Mycobacterium Tuberculosis with Glyoxylate and Pyruvate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg503
b:51.2
occ:1.00
|
O
|
E:ALA276
|
2.2
|
37.6
|
1.0
|
|
OE1
|
E:GLN308
|
2.3
|
46.8
|
1.0
|
|
O
|
E:HOH769
|
2.3
|
33.6
|
1.0
|
|
O
|
E:ALA279
|
2.3
|
35.6
|
1.0
|
|
O
|
E:HOH788
|
2.6
|
32.1
|
1.0
|
|
O
|
E:HOH602
|
2.7
|
39.1
|
1.0
|
|
H
|
E:ALA279
|
3.2
|
43.3
|
1.0
|
|
HE22
|
E:GLN308
|
3.3
|
53.1
|
1.0
|
|
CD
|
E:GLN308
|
3.3
|
45.5
|
1.0
|
|
C
|
E:ALA276
|
3.3
|
40.4
|
1.0
|
|
C
|
E:ALA279
|
3.5
|
35.5
|
1.0
|
|
HA
|
E:ALA276
|
3.6
|
45.8
|
1.0
|
|
NE2
|
E:GLN308
|
3.7
|
44.3
|
1.0
|
|
O
|
E:ASP25
|
3.8
|
57.9
|
1.0
|
|
HB1
|
E:ALA276
|
3.9
|
46.0
|
1.0
|
|
N
|
E:ALA279
|
4.0
|
36.1
|
1.0
|
|
CA
|
E:ALA276
|
4.0
|
38.2
|
1.0
|
|
HA
|
E:ASP280
|
4.0
|
42.5
|
1.0
|
|
HA
|
E:PRO277
|
4.0
|
56.6
|
1.0
|
|
O
|
E:HOH731
|
4.1
|
32.1
|
1.0
|
|
HB3
|
E:ALA279
|
4.2
|
42.2
|
1.0
|
|
CA
|
E:ALA279
|
4.3
|
35.4
|
1.0
|
|
N
|
E:PRO277
|
4.3
|
45.4
|
1.0
|
|
CA
|
E:PRO277
|
4.4
|
47.1
|
1.0
|
|
N
|
E:ASP280
|
4.5
|
35.2
|
1.0
|
|
HB2
|
E:ASP25
|
4.5
|
72.8
|
1.0
|
|
HB3
|
E:ASP25
|
4.5
|
72.8
|
1.0
|
|
CB
|
E:ALA276
|
4.5
|
38.3
|
1.0
|
|
HE21
|
E:GLN308
|
4.5
|
53.1
|
1.0
|
|
C
|
E:PRO277
|
4.5
|
44.4
|
1.0
|
|
HD11
|
E:ILE282
|
4.6
|
52.9
|
1.0
|
|
O
|
E:HOH728
|
4.6
|
46.7
|
1.0
|
|
CA
|
E:ASP280
|
4.6
|
35.4
|
1.0
|
|
H
|
E:PHE278
|
4.7
|
47.7
|
1.0
|
|
CG
|
E:GLN308
|
4.7
|
45.0
|
1.0
|
|
O
|
E:HOH663
|
4.7
|
50.1
|
1.0
|
|
HB2
|
E:GLN308
|
4.7
|
55.3
|
1.0
|
|
HA
|
E:GLN308
|
4.7
|
55.6
|
1.0
|
|
N
|
E:PHE278
|
4.7
|
39.7
|
1.0
|
|
CB
|
E:ALA279
|
4.8
|
35.1
|
1.0
|
|
HG2
|
E:GLN308
|
4.9
|
54.0
|
1.0
|
|
CB
|
E:ASP25
|
5.0
|
60.7
|
1.0
|
|
O
|
E:PRO277
|
5.0
|
46.5
|
1.0
|
|
C
|
E:ASP280
|
5.0
|
36.8
|
1.0
|
|
C
|
E:ASP25
|
5.0
|
56.5
|
1.0
|
|
Reference:
S.Ray,
D.F.Kreitler,
A.M.Gulick,
A.S.Murkin.
The Nitro Group As A Masked Electrophile in Covalent Enzyme Inhibition. Acs Chem. Biol. V. 13 1470 2018.
ISSN: ESSN 1554-8937
PubMed: 29782144
DOI: 10.1021/ACSCHEMBIO.8B00225
Page generated: Mon Dec 14 22:26:22 2020
|
